Chem
J-GLOBAL ID：200907049669130332   Nikkaji number：J925.600H

8-(3-Chlorostyryl)-1-propargyl-3-benzyl-7-methylxanthine

8-(3-クロロスチリル)-1-プロパルギル-3-ベンジル-7-メチルキサンチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H19ClN4O2
Molecular formula furigana： C24-H19-CL-N4-O2
Molecular weight： 430.890
InChI： InChI=1S/C24H19ClN4O2/c1-3-14-28-23(30)21-22(29(24(28)31)16-18-8-5-4-6-9-18)26-20(27(21)2)13-12-17-10-7-11-19(25)15-17/h1,4-13,15H,14,16H2,2H3
InChI key： ZCGZHYWNMSAZLQ-UHFFFAOYSA-N
SMILES： Cn1c(C=Cc2cccc(Cl)c2)nc2n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c12
Systematic name  (3)：
  • 8-(3-クロロスチリル)-1-プロパルギル-3-ベンジル-7-メチルキサンチン
  • 3-ベンジル-8-[2-(3-クロロフェニル)エテニル]-7-メチル-1-(プロパ-2-イン-1-イル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3-benzyl-8-[2-(3-chlorophenyl)ethenyl]-7-methyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 8-(3-Chlorostyryl)-1-propargyl-3-benzyl-7-methylxanthine
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